4-氟丁-2-烯酸
TL;DR: 4-氟丁-2-烯酸 (CAS 37759-72-1) is a chemical compound with molecular formula C4H5FO2 and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟丁-2-烯酸
4-fluorobut-2-enoic acid
Also Known As: 4-fluorobut-2-enoic acid, (2E)-4-fluorobut-2-enoic acid
| Molecular Formula | C4H5FO2 |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02736 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 37759-72-1 |
|---|---|
| SMILES | C(C=CC(=O)O)F |
| InChIKey | VLPAEVHYNQOJRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氟丁-2-烯酸 (CAS 37759-72-1), with molecular formula C4H5FO2 and molecular weight 104.03 g/mol. IUPAC: 4-fluorobut-2-enoic acid.
Chemical Property Profile of 4-氟丁-2-烯酸
Property Insights of 4-氟丁-2-烯酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟丁-2-烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-氟丁-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氟丁-2-烯酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-氟丁-2-烯酸?
The CAS number of 4-氟丁-2-烯酸 is 37759-72-1.
What is the molecular formula of 4-氟丁-2-烯酸?
The molecular formula of 4-氟丁-2-烯酸 is C4H5FO2.
What is the molecular weight of 4-氟丁-2-烯酸?
The molecular weight of 4-氟丁-2-烯酸 is 104.03 g/mol.
Where can I buy 4-氟丁-2-烯酸?
You can request a quote for 4-氟丁-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氟丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.